5-tert-butyl-3-(4-methoxyphenyl)-4H-imidazo[1,5-a]quinoxaline

C21H23N3O — CID 10688103

IUPAC5-tert-butyl-3-(4-methoxyphenyl)-4H-imidazo[1,5-a]quinoxaline
SMILESCOc1ccc(-c2ncn3c2CN(C(C)(C)C)c2ccccc2-3)cc1
InChIInChI=1S/C21H23N3O/c1-21(2,3)24-13-19-20(15-9-11-16(25-4)12-10-15)22-14-23(19)17-7-5-6-8-18(17)24/h5-12,14H,13H2,1-4H3
InChIKeyLHHCSRPTEYFCCN-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.67
Rot. Bonds2

About 5-tert-butyl-3-(4-methoxyphenyl)-4H-imidazo[1,5-a]quinoxaline

5-tert-butyl-3-(4-methoxyphenyl)-4H-imidazo[1,5-a]quinoxaline (PubChem CID 10688103) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 5-tert-butyl-3-(4-methoxyphenyl)-4H-imidazo[1,5-a]quinoxaline.

Molecular Properties

Compound Name5-tert-butyl-3-(4-methoxyphenyl)-4H-imidazo[1,5-a]quinoxaline
PubChem CID10688103
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name5-tert-butyl-3-(4-methoxyphenyl)-4H-imidazo[1,5-a]quinoxaline
SMILESCOc1ccc(-c2ncn3c2CN(C(C)(C)C)c2ccccc2-3)cc1
InChIInChI=1S/C21H23N3O/c1-21(2,3)24-13-19-20(15-9-11-16(25-4)12-10-15)22-14-23(19)17-7-5-6-8-18(17)24/h5-12,14H,13H2,1-4H3
InChIKeyLHHCSRPTEYFCCN-UHFFFAOYSA-N
XLogP4.67
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-(4-methoxyphenyl)-4H-imidazo[1,5-a]quinoxaline?
The IUPAC name of 5-tert-butyl-3-(4-methoxyphenyl)-4H-imidazo[1,5-a]quinoxaline (CID 10688103) is 5-tert-butyl-3-(4-methoxyphenyl)-4H-imidazo[1,5-a]quinoxaline.
What is the SMILES notation for 5-tert-butyl-3-(4-methoxyphenyl)-4H-imidazo[1,5-a]quinoxaline?
The canonical SMILES for 5-tert-butyl-3-(4-methoxyphenyl)-4H-imidazo[1,5-a]quinoxaline is COc1ccc(-c2ncn3c2CN(C(C)(C)C)c2ccccc2-3)cc1.
What is the InChIKey of 5-tert-butyl-3-(4-methoxyphenyl)-4H-imidazo[1,5-a]quinoxaline?
The InChIKey is LHHCSRPTEYFCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-21(2,3)24-13-19-20(15-9-11-16(25-4)12-10-15)22-14-23(19)17-7-5-6-8-18(17)24/h5-12,14H,13H2,1-4H3.
What are the key properties of 5-tert-butyl-3-(4-methoxyphenyl)-4H-imidazo[1,5-a]quinoxaline?
5-tert-butyl-3-(4-methoxyphenyl)-4H-imidazo[1,5-a]quinoxaline has a molecular weight of 333.44 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-(4-methoxyphenyl)-4H-imidazo[1,5-a]quinoxaline is sourced from PubChem (CID 10688103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).